3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione

C14H15N3O4 — CID 121017220

IUPAC3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESCOc1cccc(C(=O)N2CC(N3C(=O)CNC3=O)C2)c1
InChIInChI=1S/C14H15N3O4/c1-21-11-4-2-3-9(5-11)13(19)16-7-10(8-16)17-12(18)6-15-14(17)20/h2-5,10H,6-8H2,1H3,(H,15,20)
InChIKeyQYZSSWPSOLELRH-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.07
Rot. Bonds3

About 3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione

3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121017220) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121017220
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESCOc1cccc(C(=O)N2CC(N3C(=O)CNC3=O)C2)c1
InChIInChI=1S/C14H15N3O4/c1-21-11-4-2-3-9(5-11)13(19)16-7-10(8-16)17-12(18)6-15-14(17)20/h2-5,10H,6-8H2,1H3,(H,15,20)
InChIKeyQYZSSWPSOLELRH-UHFFFAOYSA-N
XLogP0.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017262
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
CID 95043086
3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159953
3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159752
1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 134794616
1-(3-methoxybenzoyl)imidazolidin-2-one
CID 54776384
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(3-methoxyphenyl)methanone
CID 121153325
3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017264
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione (CID 121017220) is 3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione is COc1cccc(C(=O)N2CC(N3C(=O)CNC3=O)C2)c1.
What is the InChIKey of 3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is QYZSSWPSOLELRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-21-11-4-2-3-9(5-11)13(19)16-7-10(8-16)17-12(18)6-15-14(17)20/h2-5,10H,6-8H2,1H3,(H,15,20).
What are the key properties of 3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 289.29 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121017220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).